1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide

C13H21N3O2S — CID 106074813

IUPAC1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
SMILESCN(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-16(2)15-19(17,18)10-12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,13-15H,7-10H2,1-2H3
InChIKeyYJLAIGLWVICXEE-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.83
Rot. Bonds7

About 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide

1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide (PubChem CID 106074813) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
PubChem CID106074813
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
SMILESCN(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-16(2)15-19(17,18)10-12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,13-15H,7-10H2,1-2H3
InChIKeyYJLAIGLWVICXEE-UHFFFAOYSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63958323
(1S,3S,4R)-3,4-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]cyclohexan-1-amine
CID 99624768
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 131963700
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide (CID 106074813) is 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide is CN(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide?
The InChIKey is YJLAIGLWVICXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(2)15-19(17,18)10-12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,13-15H,7-10H2,1-2H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide?
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide has a molecular weight of 283.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide is sourced from PubChem (CID 106074813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).